2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide

C24H24FN3O3 — CID 10502272

IUPAC2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1F)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H24FN3O3/c25-21-14-6-5-12-20(21)23(30)26-16-7-1-2-15-22(29)27-28-24(31)19-13-8-10-17-9-3-4-11-18(17)19/h3-6,8-14H,1-2,7,15-16H2,(H,26,30)(H,27,29)(H,28,31)
InChIKeyBPJAGRUMVCUXNT-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.73
Rot. Bonds8

About 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide

2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 10502272) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
PubChem CID10502272
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1F)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H24FN3O3/c25-21-14-6-5-12-20(21)23(30)26-16-7-1-2-15-22(29)27-28-24(31)19-13-8-10-17-9-3-4-11-18(17)19/h3-6,8-14H,1-2,7,15-16H2,(H,26,30)(H,27,29)(H,28,31)
InChIKeyBPJAGRUMVCUXNT-UHFFFAOYSA-N
XLogP3.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide (CID 10502272) is 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1F)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is BPJAGRUMVCUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-21-14-6-5-12-20(21)23(30)26-16-7-1-2-15-22(29)27-28-24(31)19-13-8-10-17-9-3-4-11-18(17)19/h3-6,8-14H,1-2,7,15-16H2,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide?
2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 421.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 10502272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).